5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine

C12H16N6O — CID 142576065

IUPAC5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(N)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C12H16N6O/c1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H2,13,16)(H4,14,15,17,18)
InChIKeyODNZBUXEQRISGA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.53
Rot. Bonds3

About 5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine

5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 142576065) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID142576065
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(N)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C12H16N6O/c1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H2,13,16)(H4,14,15,17,18)
InChIKeyODNZBUXEQRISGA-UHFFFAOYSA-N
XLogP1.53
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 142576065) is 5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is CC(C)c1cnc(N)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is ODNZBUXEQRISGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-6(2)7-4-16-10(13)3-8(7)19-9-5-17-12(15)18-11(9)14/h3-6H,1-2H3,(H2,13,16)(H4,14,15,17,18).
What are the key properties of 5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 260.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 142576065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).